keeeto/Vasp-PV
A shell script for calculating many interesting materials' parameters for photovoltaic applications, includng Band gap, polarisation
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Discovered Oct 12, 2026
keeeto / smact
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keeeto/BrillouinZoneKpointsVASP
Generate the KPOINTS file for a paths between user selected special points in a given symmetry. Reads in the POSCAR file and then asks for the lattice type (fcc/bcc/hex/tet/ortho) and prints out a kpoints file for your hybrid calculation.)
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Splitting VASP tajectory XDATCAR to multiple POSCARs at as many points as required.